Pressure tuning of the electronic energy levels of ferrocene, cobaltocenium hexafluorophosphate, and nickelocene

Journal Article · Thu Jul 28 00:00:00 EDT 1988 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100326a016· OSTI ID:5993502

Roginski, R T; Moroz, A; Hendrickson, D N; Drickamer, H G

The effects of pressure on various d-d transitions for ferrocene, cobaltocenium hexafluorophosphate, and nickelocene in the solid state are presented here. The bands are found to shift in a manner such as to increase the symmetry-imposed splittings between the d orbitals, which is consistent with a qualitative molecular orbital picture. These splittings are found to increase between 2 and 8% in 100 kbar, as compared with 7-15% for simple ionic compounds. The Racah parameter B is almost independent of pressure, in contrast to the results seen for simple ionic compounds. These results are discussed in terms of the large degree of covalency for these compounds.

• Research Organization: Univ. of Illinois, Urbana, Champaign (USA)
• DOE Contract Number: AC02-76ER01198
• OSTI ID: 5993502
• Journal Information: J. Phys. Chem.; (United States), Vol. 92:15
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
COBALT COMPOUNDS
STRUCTURAL CHEMICAL ANALYSIS
DIENES
FERROCENE
FLUORINE COMPOUNDS
NICKEL COMPOUNDS
ORGANOMETALLIC COMPOUNDS
PHOSPHATES
ELECTRONIC STRUCTURE
ENERGY LEVELS
PRESSURE DEPENDENCE
COMPLEXES
HALOGEN COMPOUNDS
HYDROCARBONS
IRON COMPLEXES
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
PHOSPHORUS COMPOUNDS
POLYENES
TRANSITION ELEMENT COMPLEXES
TRANSITION ELEMENT COMPOUNDS
400201* - Chemical & Physicochemical Properties